CCL: MOPAC/PM6 and MD
- From: allouche <allouche_+_lasim.univ-lyon1.fr>
- Subject: CCL: MOPAC/PM6 and MD
- Date: Mon, 05 Jan 2009 15:26:03 +0100
Sent to CCL by: allouche [allouche,,lasim.univ-lyon1.fr]
Stephen.Garrison_._srnl.doe.gov a écrit :
Are there any molecular dynamics codes that interface with MOPAC (2007
or 2009) to do MD simulations using the PM6 method?
The developpement version (2.1.13) of Gabedit can do this.
You can download this version from :
http://sites.google.com/site/allouchear/Home/gabedit/download
--
Abdul-Rahman ALLOUCHE
Fax : + (33) (0) 472431507
Email : allouche(a)lasim.univ-lyon1.fr
Web : http://sites.google.com/site/allouchear/